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Filtros : "The Journal of Physical Chemistry A" Limpar

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  • Artigo de periodico

    The Importance of the Density Functional Theory Exchange−Correlation Hartree−Fock Term in Magnetic Resonance: Application to an Aqueous Environment (2023)

    Provasi, Patricio F; Costa, Lucas Modesto da; Sampaio, Felipe; Silva, Tércio; Andrade-Filho, Tarciso; Cunha, Antonio Rodrigues da ; Gester, Rodrigo

    Source: The Journal of Physical Chemistry A. Unidade: IF

    Assunto: RESSONÂNCIA MAGNÉTICA

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    • ABNT

      PROVASI, Patricio F et al. The Importance of the Density Functional Theory Exchange−Correlation Hartree−Fock Term in Magnetic Resonance: Application to an Aqueous Environment. The Journal of Physical Chemistry A, v. 127, n. 3, p. 619–626, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.2c05623. Acesso em: 27 abr. 2024.

    • APA

      Provasi, P. F., Costa, L. M. da, Sampaio, F., Silva, T., Andrade-Filho, T., Cunha, A. R. da, & Gester, R. (2023). The Importance of the Density Functional Theory Exchange−Correlation Hartree−Fock Term in Magnetic Resonance: Application to an Aqueous Environment. The Journal of Physical Chemistry A, 127( 3), 619–626. doi:10.1021/acs.jpca.2c05623

    • NLM

      Provasi PF, Costa LM da, Sampaio F, Silva T, Andrade-Filho T, Cunha AR da, Gester R. The Importance of the Density Functional Theory Exchange−Correlation Hartree−Fock Term in Magnetic Resonance: Application to an Aqueous Environment [Internet]. The Journal of Physical Chemistry A. 2023 ; 127( 3): 619–626.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/acs.jpca.2c05623

    • Vancouver

      Provasi PF, Costa LM da, Sampaio F, Silva T, Andrade-Filho T, Cunha AR da, Gester R. The Importance of the Density Functional Theory Exchange−Correlation Hartree−Fock Term in Magnetic Resonance: Application to an Aqueous Environment [Internet]. The Journal of Physical Chemistry A. 2023 ; 127( 3): 619–626.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/acs.jpca.2c05623

  • Artigo de periodico

    Homogeneous catalytic CO2 hydrogenation by [Fe]-hydrogenase bioinspired complexes: a computational study (2022)

    Ramos, Vânia Martins ; Oliveira Filho, Antonio Gustavo Sampaio de ; Batista, Ana Paula de Lima

    Source: The Journal of Physical Chemistry A. Unidade: FFCLRP

    Subjects: CATALISADORES, ENERGIA, HIDROGENAÇÃO, DIÓXIDO DE CARBONO, PROTEÇÃO AMBIENTAL, METAIS

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    • ABNT

      RAMOS, Vânia Martins e OLIVEIRA FILHO, Antonio Gustavo Sampaio de e BATISTA, Ana Paula de Lima. Homogeneous catalytic CO2 hydrogenation by [Fe]-hydrogenase bioinspired complexes: a computational study. The Journal of Physical Chemistry A, v. 126, n. 13, p. 2082-2090, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.1c09761. Acesso em: 27 abr. 2024.

    • APA

      Ramos, V. M., Oliveira Filho, A. G. S. de, & Batista, A. P. de L. (2022). Homogeneous catalytic CO2 hydrogenation by [Fe]-hydrogenase bioinspired complexes: a computational study. The Journal of Physical Chemistry A, 126( 13), 2082-2090. doi:10.1021/acs.jpca.1c09761

    • NLM

      Ramos VM, Oliveira Filho AGS de, Batista AP de L. Homogeneous catalytic CO2 hydrogenation by [Fe]-hydrogenase bioinspired complexes: a computational study [Internet]. The Journal of Physical Chemistry A. 2022 ; 126( 13): 2082-2090.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/acs.jpca.1c09761

    • Vancouver

      Ramos VM, Oliveira Filho AGS de, Batista AP de L. Homogeneous catalytic CO2 hydrogenation by [Fe]-hydrogenase bioinspired complexes: a computational study [Internet]. The Journal of Physical Chemistry A. 2022 ; 126( 13): 2082-2090.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/acs.jpca.1c09761

  • Artigo de periodico

    Use of density functional based tight binding methods in vibrational circular dichroism (2018)

    Teodoro, Tiago Quevedo ; Koenis, M. A. J.; Rüger, R.; Galembeck, Sérgio Emanuel ; Buma, W. J.; Nicu, V. P.; Visscher, Lucas

    Source: The Journal of Physical Chemistry A. Unidade: FFCLRP

    Subjects: ESPECTROMETRIA, QUÍMICA QUÂNTICA

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    • ABNT

      TEODORO, Tiago Quevedo et al. Use of density functional based tight binding methods in vibrational circular dichroism. The Journal of Physical Chemistry A, v. 122, n. 49, p. 9435-9445, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b08218. Acesso em: 27 abr. 2024.

    • APA

      Teodoro, T. Q., Koenis, M. A. J., Rüger, R., Galembeck, S. E., Buma, W. J., Nicu, V. P., & Visscher, L. (2018). Use of density functional based tight binding methods in vibrational circular dichroism. The Journal of Physical Chemistry A, 122( 49), 9435-9445. doi:10.1021/acs.jpca.8b08218

    • NLM

      Teodoro TQ, Koenis MAJ, Rüger R, Galembeck SE, Buma WJ, Nicu VP, Visscher L. Use of density functional based tight binding methods in vibrational circular dichroism [Internet]. The Journal of Physical Chemistry A. 2018 ; 122( 49): 9435-9445.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/acs.jpca.8b08218

    • Vancouver

      Teodoro TQ, Koenis MAJ, Rüger R, Galembeck SE, Buma WJ, Nicu VP, Visscher L. Use of density functional based tight binding methods in vibrational circular dichroism [Internet]. The Journal of Physical Chemistry A. 2018 ; 122( 49): 9435-9445.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/acs.jpca.8b08218

  • Artigo de periodico

    Photoreactivity of a quantum dot–ruthenium nitrosyl conjugate (2014)

    Franco, Lilian Pereira; Cicillini, Simone Aparecida; Biazzotto, Juliana Cristina; Schiavon, Marco Antônio; Mikhailovsky, Alexander; Burks, Peter; Garcia, John; Ford, Peter C.; Silva, Roberto Santana da

    Source: The Journal of Physical Chemistry A. Unidade: FCFRP

    Subjects: RUTÊNIO, ÓXIDO NÍTRICO, FÍSICO-QUÍMICA

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    • ABNT

      FRANCO, Lilian Pereira et al. Photoreactivity of a quantum dot–ruthenium nitrosyl conjugate. The Journal of Physical Chemistry A, v. 118, n. 51, p. 12184–12191, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp5111218. Acesso em: 27 abr. 2024.

    • APA

      Franco, L. P., Cicillini, S. A., Biazzotto, J. C., Schiavon, M. A., Mikhailovsky, A., Burks, P., et al. (2014). Photoreactivity of a quantum dot–ruthenium nitrosyl conjugate. The Journal of Physical Chemistry A, 118( 51), 12184–12191. doi:10.1021/jp5111218

    • NLM

      Franco LP, Cicillini SA, Biazzotto JC, Schiavon MA, Mikhailovsky A, Burks P, Garcia J, Ford PC, Silva RS da. Photoreactivity of a quantum dot–ruthenium nitrosyl conjugate [Internet]. The Journal of Physical Chemistry A. 2014 ; 118( 51): 12184–12191.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jp5111218

    • Vancouver

      Franco LP, Cicillini SA, Biazzotto JC, Schiavon MA, Mikhailovsky A, Burks P, Garcia J, Ford PC, Silva RS da. Photoreactivity of a quantum dot–ruthenium nitrosyl conjugate [Internet]. The Journal of Physical Chemistry A. 2014 ; 118( 51): 12184–12191.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jp5111218

  • Artigo de periodico

    Organic constituents on the surfaces of aerosol particles from southern Finland, Amazonia, and California studied by vibrational sum frequency generation (2012)

    Ebben, Carlena J.; Shrestha, Mona; Martinez, Imee S.; Corrigan, Ashley L.; Frossard, Amanda A.; Song, Wei W.; Worton, David R.; Petäjä , Tuukka; Williams, Jonathan; Russel, Lynn M.; Kulmala, Markku; Goldstein, Allen H.; Artaxo, Paulo ; Martin, Scot T.; Thomson, Regan J.; Geiger, Franz M.

    Source: The Journal of Physical Chemistry A. Unidade: IF

    Subjects: AEROSSOL, POLUIÇÃO AMBIENTAL, ESPECTROSCOPIA

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      EBBEN, Carlena J. et al. Organic constituents on the surfaces of aerosol particles from southern Finland, Amazonia, and California studied by vibrational sum frequency generation. The Journal of Physical Chemistry A, v. 116, n. ju2012, p. 8271–8290, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp302631z. Acesso em: 27 abr. 2024.

    • APA

      Ebben, C. J., Shrestha, M., Martinez, I. S., Corrigan, A. L., Frossard, A. A., Song, W. W., et al. (2012). Organic constituents on the surfaces of aerosol particles from southern Finland, Amazonia, and California studied by vibrational sum frequency generation. The Journal of Physical Chemistry A, 116( ju2012), 8271–8290. doi:10.1021/jp302631z

    • NLM

      Ebben CJ, Shrestha M, Martinez IS, Corrigan AL, Frossard AA, Song WW, Worton DR, Petäjä T, Williams J, Russel LM, Kulmala M, Goldstein AH, Artaxo P, Martin ST, Thomson RJ, Geiger FM. Organic constituents on the surfaces of aerosol particles from southern Finland, Amazonia, and California studied by vibrational sum frequency generation [Internet]. The Journal of Physical Chemistry A. 2012 ;116( ju2012): 8271–8290.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jp302631z

    • Vancouver

      Ebben CJ, Shrestha M, Martinez IS, Corrigan AL, Frossard AA, Song WW, Worton DR, Petäjä T, Williams J, Russel LM, Kulmala M, Goldstein AH, Artaxo P, Martin ST, Thomson RJ, Geiger FM. Organic constituents on the surfaces of aerosol particles from southern Finland, Amazonia, and California studied by vibrational sum frequency generation [Internet]. The Journal of Physical Chemistry A. 2012 ;116( ju2012): 8271–8290.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jp302631z

  • Artigo de periodico

    CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System (2011)

    Garrido, Juan D; Ballester, Maikel Y; Orozco-Gonzalez, Yoelvis ; Canuto, Sylvio

    Source: The Journal of Physical Chemistry A. Unidades: IF, FFLCH

    Assunto: FÍSICO-QUÍMICA

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      GARRIDO, Juan D et al. CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System. The Journal of Physical Chemistry A, v. 115, n. 9, p. 1453-1461, 2011Tradução . . Disponível em: https://doi.org/10.1021/jp108460v. Acesso em: 27 abr. 2024.

    • APA

      Garrido, J. D., Ballester, M. Y., Orozco-Gonzalez, Y., & Canuto, S. (2011). CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System. The Journal of Physical Chemistry A, 115( 9), 1453-1461. doi:10.1021/jp108460v

    • NLM

      Garrido JD, Ballester MY, Orozco-Gonzalez Y, Canuto S. CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System [Internet]. The Journal of Physical Chemistry A. 2011 ;115( 9): 1453-1461.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jp108460v

    • Vancouver

      Garrido JD, Ballester MY, Orozco-Gonzalez Y, Canuto S. CASPT2 Study of the Potential Energy Surface of the 'HSO IND.2' System [Internet]. The Journal of Physical Chemistry A. 2011 ;115( 9): 1453-1461.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jp108460v

  • Artigo de periodico

    Excited-state dynamics of polyfluorene derivatives in solution (2008)

    Simas, Emanuelle R; Gehlen, Marcelo Henrique ; Glogauer, Arnaldo; Akcelrud, Leni

    Source: The Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      SIMAS, Emanuelle R et al. Excited-state dynamics of polyfluorene derivatives in solution. The Journal of Physical Chemistry A, v. 112, n. 23, p. 5054-5059, 2008Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i23/pdf/jp711934d.pdf. Acesso em: 27 abr. 2024.

    • APA

      Simas, E. R., Gehlen, M. H., Glogauer, A., & Akcelrud, L. (2008). Excited-state dynamics of polyfluorene derivatives in solution. The Journal of Physical Chemistry A, 112( 23), 5054-5059. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i23/pdf/jp711934d.pdf

    • NLM

      Simas ER, Gehlen MH, Glogauer A, Akcelrud L. Excited-state dynamics of polyfluorene derivatives in solution [Internet]. The Journal of Physical Chemistry A. 2008 ; 112( 23): 5054-5059.[citado 2024 abr. 27 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i23/pdf/jp711934d.pdf

    • Vancouver

      Simas ER, Gehlen MH, Glogauer A, Akcelrud L. Excited-state dynamics of polyfluorene derivatives in solution [Internet]. The Journal of Physical Chemistry A. 2008 ; 112( 23): 5054-5059.[citado 2024 abr. 27 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i23/pdf/jp711934d.pdf
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